Asaraldehyde
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1164301 | |
| PubChem: | 20525 | |
| IUPAC: | 2,4,5-trimethoxybenzaldehyde | |
| Standard InChI: | InChI=1S/C10H12O4/c1-12-8-5-10(14-3)9(13-2)4-7(8)6-11/h4-6H,1-3H3 | |
| Standard InChI Key: | IAJBQAYHSQIQRE-UHFFFAOYSA-N | |
| SMILES: | COc1cc(C=O)c(cc1OC)OC | |
Molecular propeties
| ||
| AlogP: | 1.52 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 1 | |
| Molecular Weight: | 196.07 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 10 | |